data_global _chemical_name_mineral 'Isolueshite' loop_ _publ_author_name 'Krivovichev S V' 'Chakhmouradian A R' 'Mitchell R H' 'Filatov S K' 'Chukanov N V' _journal_name_full 'European Journal of Mineralogy' _journal_volume 12 _journal_year 2000 _journal_page_first 597 _journal_page_last 607 _publ_section_title ; Crystal structure of isolueshite and its synthetic compositional analogue Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3 ; _database_code_amcsd 0006837 _chemical_formula_sum '(Na.75 La.25) (Nb.5 Ti.5) O3' _cell_length_a 7.7842 _cell_length_b 7.8033 _cell_length_c 7.7828 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 472.746 _exptl_crystal_density_diffrn 4.787 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv NaA1 0.00000 0.00200 0.25000 0.75000 0.01862 LaA1 0.00000 0.00200 0.25000 0.25000 0.01862 NaA2 0.00000 0.49900 0.25000 0.75000 0.01862 LaA2 0.00000 0.49900 0.25000 0.25000 0.01862 NbB 0.25000 0.25000 0.00000 0.50000 0.01798 TiB 0.25000 0.25000 0.00000 0.50000 0.01798 O1 0.21500 0.00000 0.00000 1.00000 0.03420 O2 0.00000 0.23200 0.00500 1.00000 0.02153 O3 0.29800 0.23700 0.25000 1.00000 0.00760